==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-SEP-09 2WU4 . COMPND 2 MOLECULE: ACETYLCHOLINESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR A.HORNBERG,E.ARTURSSON,R.WARME,Y.-P.PANG,F.EKSTROM . 1054 6 6 2 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37414.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 693 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 98 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 64 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 128 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 289 27.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 9 2 0 5 4 2 1 5 0 2 1 1 4 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 4 2 4 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 5 0 0 6 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 2 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A E 0 0 167 0, 0.0 4,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-166.3 30.7 15.1 55.4 2 2 A G + 0 0 70 2,-0.2 0, 0.0 0, 0.0 0, 0.0 -0.355 360.0 37.5 137.6 -51.2 28.1 15.6 58.1 3 3 A R S S+ 0 0 252 2,-0.1 2,-0.1 3,-0.0 0, 0.0 0.443 92.5 101.7-112.1 -5.6 26.0 18.5 56.9 4 4 A E S S- 0 0 63 1,-0.1 -2,-0.2 2,-0.1 5,-0.1 -0.314 88.3 -82.3 -83.5 166.4 25.8 17.8 53.1 5 5 A D > - 0 0 46 1,-0.2 3,-2.7 -2,-0.1 4,-0.3 -0.560 35.8-143.5 -72.0 111.8 23.0 16.3 51.2 6 6 A P G > S+ 0 0 108 0, 0.0 3,-0.7 0, 0.0 -1,-0.2 0.688 96.6 63.6 -50.0 -25.4 23.3 12.5 51.7 7 7 A Q G 3 S+ 0 0 50 1,-0.2 100,-0.1 3,-0.0 -2,-0.1 0.647 96.8 57.0 -75.0 -15.0 22.1 11.9 48.1 8 8 A L G < S+ 0 0 20 -3,-2.7 11,-2.5 11,-0.1 2,-0.6 0.390 84.5 91.6 -97.7 2.2 25.1 13.7 46.6 9 9 A L E < +A 18 0A 32 -3,-0.7 2,-0.4 -4,-0.3 9,-0.2 -0.880 50.9 159.3-102.3 119.4 27.9 11.6 48.2 10 10 A V E -A 17 0A 11 7,-1.9 7,-3.1 -2,-0.6 2,-0.5 -0.989 29.6-142.9-141.1 143.8 29.0 8.6 46.1 11 11 A R E +A 16 0A 157 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.915 19.2 178.6-107.7 130.3 32.0 6.4 45.8 12 12 A V E > -A 15 0A 7 3,-3.3 3,-1.8 -2,-0.5 174,-0.1 -0.671 50.2 -84.6-115.2 179.2 33.4 5.1 42.6 13 13 A R T 3 S+ 0 0 162 1,-0.3 3,-0.1 -2,-0.2 -2,-0.0 0.796 128.3 47.1 -52.4 -33.1 36.5 2.9 41.9 14 14 A G T 3 S- 0 0 10 1,-0.3 42,-2.5 41,-0.1 2,-0.3 0.597 123.4 -80.1 -88.1 -9.3 38.8 5.9 41.9 15 15 A G E < -A 12 0A 7 -3,-1.8 -3,-3.3 40,-0.2 -1,-0.3 -0.953 65.6 -25.8 143.6-168.5 37.4 7.5 45.1 16 16 A Q E -Ab 11 59A 61 42,-0.9 44,-3.0 -2,-0.3 2,-0.4 -0.603 48.3-162.5 -90.9 146.4 34.7 9.7 46.6 17 17 A L E -Ab 10 60A 0 -7,-3.1 -7,-1.9 -2,-0.2 2,-0.6 -0.952 13.9-155.2-129.9 143.6 32.6 12.2 44.7 18 18 A R E -Ab 9 61A 71 42,-2.5 44,-3.3 -2,-0.4 -9,-0.2 -0.980 23.3-175.7-116.0 119.8 30.4 15.1 45.7 19 19 A G - 0 0 3 -11,-2.5 2,-0.4 -2,-0.6 13,-0.2 -0.292 19.7-112.0 -98.0-171.3 27.8 15.9 43.1 20 20 A I E -C 31 0B 55 11,-2.9 11,-2.9 42,-0.4 2,-0.6 -0.959 13.5-123.5-131.3 145.2 25.2 18.6 42.9 21 21 A R E -C 30 0B 144 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.767 36.3-168.9 -86.0 119.2 21.5 18.9 43.2 22 22 A L E -C 29 0B 30 7,-2.9 7,-2.3 -2,-0.6 2,-0.5 -0.843 19.5-119.9-113.0 151.7 20.1 20.5 40.0 23 23 A K E -C 28 0B 153 -2,-0.3 113,-0.1 5,-0.2 3,-0.0 -0.734 27.3-179.2 -91.4 129.6 16.7 21.9 39.2 24 24 A A E > -C 27 0B 0 3,-1.4 3,-2.1 -2,-0.5 430,-0.0 -0.893 44.7-101.2-116.7 156.8 14.7 20.4 36.3 25 25 A P T 3 S+ 0 0 60 0, 0.0 -1,-0.1 0, 0.0 429,-0.0 0.860 122.9 38.4 -46.6 -44.5 11.3 21.7 35.3 26 26 A G T 3 S- 0 0 59 1,-0.2 -3,-0.0 111,-0.1 111,-0.0 0.458 131.7 -61.2 -88.8 -1.0 9.5 18.8 37.0 27 27 A G E < S-C 24 0B 15 -3,-2.1 -3,-1.4 2,-0.0 -1,-0.2 -0.850 74.6 -33.2 145.5-176.3 11.8 18.6 40.0 28 28 A P E -C 23 0B 38 0, 0.0 77,-0.6 0, 0.0 2,-0.3 -0.262 42.6-170.9 -74.2 154.0 15.4 17.9 41.1 29 29 A V E -CD 22 104B 0 -7,-2.3 -7,-2.9 75,-0.2 2,-0.5 -0.936 25.4-116.4-132.7 159.7 18.0 15.7 39.6 30 30 A S E -CD 21 103B 0 73,-2.8 73,-2.6 -2,-0.3 2,-0.4 -0.850 30.2-168.3 -93.9 127.9 21.5 14.6 40.8 31 31 A A E -CD 20 102B 0 -11,-2.9 -11,-2.9 -2,-0.5 2,-0.5 -0.975 14.1-171.5-117.7 133.9 24.4 15.7 38.6 32 32 A F E - D 0 101B 0 69,-3.3 69,-2.4 -2,-0.4 2,-0.4 -0.929 22.8-175.1-116.8 102.4 28.0 14.4 38.9 33 33 A L E +n 63 0C 10 29,-2.8 31,-0.6 -2,-0.5 67,-0.2 -0.794 52.2 12.5-107.8 139.1 30.0 16.6 36.6 34 34 A G E + 0 0 4 -2,-0.4 -1,-0.2 65,-0.4 66,-0.2 0.894 67.9 169.8 74.2 41.9 33.7 16.4 35.6 35 35 A I E - D 0 99B 0 64,-2.7 64,-2.2 -3,-0.3 -1,-0.2 -0.767 33.5-127.6 -87.4 125.0 34.7 13.0 36.9 36 36 A P E + D 0 98B 5 0, 0.0 62,-0.2 0, 0.0 -22,-0.1 -0.509 32.2 172.5 -72.9 139.8 38.1 12.0 35.7 37 37 A F + 0 0 5 60,-1.2 16,-0.9 -2,-0.1 2,-0.3 0.330 64.0 34.0-122.8 0.7 38.2 8.6 33.9 38 38 A A B S-O 52 0D 3 59,-0.8 -1,-0.1 14,-0.3 59,-0.1 -0.978 88.7 -92.4-144.8 158.8 41.9 8.8 32.6 39 39 A E - 0 0 14 12,-2.9 12,-0.4 -2,-0.3 14,-0.1 -0.570 65.5 -89.6 -65.0 136.6 45.2 10.1 33.4 40 40 A P - 0 0 27 0, 0.0 2,-2.8 0, 0.0 5,-0.2 -0.308 36.8-134.5 -54.2 120.3 45.5 13.5 31.8 41 41 A P + 0 0 4 0, 0.0 6,-0.2 0, 0.0 2,-0.2 -0.179 61.0 130.4 -77.0 51.4 46.8 12.7 28.4 42 42 A V > - 0 0 60 -2,-2.8 3,-2.2 3,-0.1 2,-0.1 -0.545 55.7 -1.4-102.1 166.7 49.4 15.6 28.6 43 43 A G G > S+ 0 0 47 1,-0.3 3,-1.9 2,-0.2 0, 0.0 -0.334 136.7 6.9 64.3-126.8 53.1 15.8 28.0 44 44 A S G 3 S+ 0 0 84 1,-0.3 -1,-0.3 -2,-0.1 224,-0.1 0.635 128.1 64.9 -65.9 -13.0 54.6 12.5 27.0 45 45 A R G X S+ 0 0 67 -3,-2.2 3,-2.1 -5,-0.2 -1,-0.3 0.523 70.2 121.4 -89.2 -6.2 51.1 11.0 26.9 46 46 A R T < S+ 0 0 11 -3,-1.9 -4,-0.1 1,-0.3 222,-0.1 -0.332 84.1 12.2 -59.5 138.7 50.0 13.2 23.9 47 47 A F T 3 S+ 0 0 1 109,-0.4 122,-0.5 1,-0.2 -1,-0.3 0.329 108.1 118.9 72.7 -8.1 48.8 11.0 21.0 48 48 A M S < S- 0 0 41 -3,-2.1 -1,-0.2 1,-0.1 3,-0.1 -0.538 75.7 -90.1 -87.9 154.0 48.9 7.9 23.3 49 49 A P - 0 0 49 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.118 56.0 -96.5 -45.4 150.0 46.1 5.6 24.4 50 50 A P - 0 0 21 0, 0.0 3,-0.0 0, 0.0 -12,-0.0 -0.640 33.2-144.2 -75.7 136.9 44.4 6.8 27.5 51 51 A E - 0 0 90 -12,-0.4 -12,-2.9 -2,-0.3 3,-0.1 -0.835 31.8 -99.5 -92.3 141.8 45.6 5.3 30.8 52 52 A P B -O 38 0D 87 0, 0.0 -14,-0.3 0, 0.0 2,-0.1 -0.318 47.5 -96.1 -61.1 141.4 42.9 4.7 33.4 53 53 A K - 0 0 64 -16,-0.9 -14,-0.1 1,-0.1 3,-0.1 -0.319 36.3-123.7 -60.2 132.0 42.7 7.4 36.1 54 54 A R - 0 0 159 1,-0.1 -1,-0.1 -3,-0.1 -40,-0.1 -0.534 38.5 -91.0 -78.0 142.4 44.6 6.6 39.3 55 55 A P - 0 0 82 0, 0.0 2,-0.2 0, 0.0 -40,-0.2 -0.164 43.1-148.9 -52.8 144.3 42.6 6.8 42.6 56 56 A W - 0 0 47 -42,-2.5 2,-0.3 2,-0.1 -40,-0.1 -0.564 10.0-118.1-106.8 173.4 42.5 10.1 44.3 57 57 A S S S+ 0 0 115 -2,-0.2 2,-0.0 -42,-0.1 -42,-0.0 -0.859 70.4 10.2-113.6 154.8 42.2 10.9 47.9 58 58 A G S S- 0 0 46 -2,-0.3 -42,-0.9 2,-0.1 2,-0.8 -0.253 106.8 -40.0 78.4-169.0 39.4 12.9 49.6 59 59 A V E -b 16 0A 48 -44,-0.1 2,-0.3 -42,-0.1 -42,-0.2 -0.853 57.3-141.8-102.0 110.1 36.1 13.9 48.1 60 60 A L E -b 17 0A 41 -44,-3.0 -42,-2.5 -2,-0.8 2,-0.6 -0.543 20.6-121.7 -69.4 128.0 36.5 15.0 44.5 61 61 A D E +b 18 0A 83 -2,-0.3 3,-0.2 -44,-0.2 -42,-0.2 -0.662 33.5 176.7 -73.7 120.7 34.2 17.9 43.8 62 62 A A + 0 0 0 -44,-3.3 -29,-2.8 -2,-0.6 -42,-0.4 -0.369 45.0 107.2-119.3 51.8 31.9 16.8 40.9 63 63 A T B S+n 33 0C 34 -31,-0.2 2,-0.3 -44,-0.2 -1,-0.1 0.424 71.3 44.4-114.7 -0.7 29.7 19.9 40.7 64 64 A T S S- 0 0 81 -31,-0.6 -1,-0.1 -3,-0.2 0, 0.0 -0.989 86.3 -92.9-143.4 152.9 30.9 21.6 37.5 65 65 A F - 0 0 36 -2,-0.3 2,-0.1 64,-0.1 3,-0.1 -0.317 42.6-135.4 -59.1 143.8 31.9 20.8 34.0 66 66 A Q - 0 0 61 1,-0.2 63,-0.1 30,-0.1 30,-0.1 -0.327 41.1 -52.4 -91.6 177.4 35.5 20.1 33.4 67 67 A N - 0 0 29 28,-0.3 2,-0.4 -2,-0.1 -1,-0.2 -0.042 50.8-121.1 -46.7 150.4 37.8 21.4 30.6 68 68 A V E -p 92 0E 0 23,-2.5 25,-2.6 -3,-0.1 3,-0.1 -0.778 38.2 -99.1 -90.9 138.9 36.9 21.0 26.9 69 69 A a E -p 93 0E 1 -2,-0.4 25,-0.2 57,-0.3 57,-0.1 -0.307 52.8 -85.5 -60.7 140.4 39.4 19.0 24.8 70 70 A Y S S+ 0 0 47 23,-0.8 83,-0.4 22,-0.1 2,-0.3 -0.205 71.2 144.6 -51.5 130.5 41.8 21.2 22.9 71 71 A Q - 0 0 5 -3,-0.1 54,-0.1 83,-0.1 205,-0.1 -0.999 53.0 -79.8-164.3 159.6 40.2 22.2 19.5 72 72 A Y - 0 0 107 52,-0.6 2,-0.5 -2,-0.3 205,-0.0 -0.375 43.9-139.7 -58.2 139.6 39.6 24.6 16.7 73 73 A V - 0 0 55 14,-0.1 2,-0.3 52,-0.1 14,-0.1 -0.950 16.8-120.8-110.4 124.8 37.0 27.2 17.6 74 74 A D + 0 0 29 -2,-0.5 3,-0.1 9,-0.1 13,-0.1 -0.434 34.6 170.0 -65.9 122.9 34.5 28.2 14.9 75 75 A T + 0 0 98 -2,-0.3 -1,-0.1 1,-0.1 9,-0.0 0.066 38.1 116.8-122.0 28.2 34.6 31.9 14.2 76 76 A L S S+ 0 0 66 1,-0.3 -1,-0.1 4,-0.0 -2,-0.0 0.842 89.3 18.3 -65.5 -39.0 32.4 32.0 11.0 77 77 A Y S > S- 0 0 37 3,-0.1 3,-2.4 -3,-0.1 6,-0.3 -0.589 81.4-149.2-139.1 84.7 29.7 34.2 12.6 78 78 A P T 3 S+ 0 0 110 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.170 84.9 10.7 -47.4 123.3 30.9 36.1 15.7 79 79 A G T 3 S+ 0 0 67 1,-0.2 2,-0.6 2,-0.1 3,-0.0 0.192 93.9 133.9 91.4 -15.8 28.0 36.7 18.1 80 80 A F X> - 0 0 27 -3,-2.4 4,-2.9 1,-0.2 3,-1.3 -0.563 50.2-151.6 -82.8 117.4 25.7 34.3 16.2 81 81 A E H 3> S+ 0 0 120 -2,-0.6 4,-2.7 1,-0.3 5,-0.2 0.882 93.1 65.3 -46.3 -44.6 23.8 31.9 18.4 82 82 A G H 34 S+ 0 0 0 1,-0.2 -1,-0.3 2,-0.2 351,-0.1 0.788 116.0 26.3 -58.4 -32.6 23.7 29.4 15.5 83 83 A T H X4 S+ 0 0 1 -3,-1.3 3,-1.6 -6,-0.3 4,-0.4 0.846 118.9 58.0 -92.2 -41.5 27.4 28.9 15.6 84 84 A E H >< S+ 0 0 76 -4,-2.9 3,-1.7 -7,-0.3 -2,-0.2 0.785 91.3 68.2 -60.6 -33.9 28.2 29.8 19.2 85 85 A M T 3< S+ 0 0 35 -4,-2.7 47,-0.3 1,-0.3 -1,-0.3 0.732 103.3 47.2 -65.6 -16.2 25.9 27.2 20.7 86 86 A W T < S+ 0 0 38 -3,-1.6 -1,-0.3 -5,-0.2 40,-0.2 0.530 92.9 103.4 -96.7 -9.8 28.4 24.6 19.4 87 87 A N S < S- 0 0 22 -3,-1.7 -14,-0.1 -4,-0.4 40,-0.0 -0.313 87.9 -80.8 -76.8 154.5 31.5 26.3 20.6 88 88 A P - 0 0 29 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.273 37.4-169.5 -56.6 140.3 33.5 25.3 23.7 89 89 A N + 0 0 57 2,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.282 68.2 47.0-115.9 6.7 31.9 26.5 26.9 90 90 A R S S- 0 0 104 1,-0.1 -23,-0.1 -24,-0.0 -24,-0.1 -0.836 106.0 -64.0-131.5 173.7 34.7 25.7 29.3 91 91 A E - 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